N,N-dimethyl-N'-pentan-2-ylmethanimidamide

C8H18N2 — CID 130771700

IUPACN,N-dimethyl-N'-pentan-2-ylmethanimidamide
SMILESCCCC(C)/N=C/N(C)C
InChIInChI=1S/C8H18N2/c1-5-6-8(2)9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeySLIKLYDHWRWSNH-VQHVLOKHSA-N
MW142.25 g/mol
LogP1.76
Rot. Bonds4

About N,N-dimethyl-N'-pentan-2-ylmethanimidamide

N,N-dimethyl-N'-pentan-2-ylmethanimidamide (PubChem CID 130771700) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethyl-N'-pentan-2-ylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-pentan-2-ylmethanimidamide
PubChem CID130771700
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethyl-N'-pentan-2-ylmethanimidamide
SMILESCCCC(C)/N=C/N(C)C
InChIInChI=1S/C8H18N2/c1-5-6-8(2)9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeySLIKLYDHWRWSNH-VQHVLOKHSA-N
XLogP1.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide
CID 93499614
N,N-dimethyl-N'-(3-methylbutyl)methanimidamide
CID 101118140
N-[(E)-1-pentan-2-yliminobut-2-en-2-yl]formamide
CID 156711922
2-methylpentane
CID 7892
ethyl 2-(dimethylaminomethylideneamino)-4-[[3-(dimethylaminomethylideneamino)-4-ethoxy-4-oxobutyl]disulfanyl]butanoate
CID 91735196
azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide
CID 87509141
azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
2-[(2S)-pentan-2-yl]guanidine
CID 94416084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-pentan-2-ylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-pentan-2-ylmethanimidamide (CID 130771700) is N,N-dimethyl-N'-pentan-2-ylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-pentan-2-ylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-pentan-2-ylmethanimidamide is CCCC(C)/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-pentan-2-ylmethanimidamide?
The InChIKey is SLIKLYDHWRWSNH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6-8(2)9-7-10(3)4/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of N,N-dimethyl-N'-pentan-2-ylmethanimidamide?
N,N-dimethyl-N'-pentan-2-ylmethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pentan-2-ylmethanimidamide is sourced from PubChem (CID 130771700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).